N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide

C20H22ClN3O4 — CID 90600155

IUPACN'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
SMILESCOC(C)(CNC(=O)C(=O)Nc1cccc(NC(C)=O)c1)c1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O4/c1-13(25)23-16-8-5-9-17(11-16)24-19(27)18(26)22-12-20(2,28-3)14-6-4-7-15(21)10-14/h4-11H,12H2,1-3H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyPYFWENBLXKFTGT-UHFFFAOYSA-N
MW403.87 g/mol
LogP2.91
Rot. Bonds6

About N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide

N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide (PubChem CID 90600155) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide.

Molecular Properties

Compound NameN'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
PubChem CID90600155
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC NameN'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
SMILESCOC(C)(CNC(=O)C(=O)Nc1cccc(NC(C)=O)c1)c1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O4/c1-13(25)23-16-8-5-9-17(11-16)24-19(27)18(26)22-12-20(2,28-3)14-6-4-7-15(21)10-14/h4-11H,12H2,1-3H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyPYFWENBLXKFTGT-UHFFFAOYSA-N
XLogP2.91
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600132
N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600108
N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 90600151
N-[2-(3-chlorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 90600175
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
CID 90501064
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
CID 90600185
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea
CID 90600196
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(4-ethoxyphenyl)urea
CID 90600200
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 90600204
N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491126
N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide
CID 90599834

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide?
The IUPAC name of N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide (CID 90600155) is N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide.
What is the SMILES notation for N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide?
The canonical SMILES for N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide is COC(C)(CNC(=O)C(=O)Nc1cccc(NC(C)=O)c1)c1cccc(Cl)c1.
What is the InChIKey of N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide?
The InChIKey is PYFWENBLXKFTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c1-13(25)23-16-8-5-9-17(11-16)24-19(27)18(26)22-12-20(2,28-3)14-6-4-7-15(21)10-14/h4-11H,12H2,1-3H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide?
N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide has a molecular weight of 403.87 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide is sourced from PubChem (CID 90600155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).